3-amino-4-[(2-ethyl-5-fluoro-4-methylpentyl)amino]-2-oxobutanamide

C12H24FN3O2 — CID 91304212

IUPAC3-amino-4-[(2-ethyl-5-fluoro-4-methylpentyl)amino]-2-oxobutanamide
SMILESCCC(CNCC(N)C(=O)C(N)=O)CC(C)CF
InChIInChI=1S/C12H24FN3O2/c1-3-9(4-8(2)5-13)6-16-7-10(14)11(17)12(15)18/h8-10,16H,3-7,14H2,1-2H3,(H2,15,18)
InChIKeyWMFWHWLPDDNYSZ-UHFFFAOYSA-N
MW261.34 g/mol
LogP-0.02
Rot. Bonds10

About 3-amino-4-[(2-ethyl-5-fluoro-4-methylpentyl)amino]-2-oxobutanamide

3-amino-4-[(2-ethyl-5-fluoro-4-methylpentyl)amino]-2-oxobutanamide (PubChem CID 91304212) has the molecular formula C12H24FN3O2 and a molecular weight of 261.34 g/mol. Its IUPAC name is 3-amino-4-[(2-ethyl-5-fluoro-4-methylpentyl)amino]-2-oxobutanamide.

Molecular Properties

Compound Name3-amino-4-[(2-ethyl-5-fluoro-4-methylpentyl)amino]-2-oxobutanamide
PubChem CID91304212
Molecular FormulaC12H24FN3O2
Molecular Weight261.34 g/mol
Exact Mass261.19
IUPAC Name3-amino-4-[(2-ethyl-5-fluoro-4-methylpentyl)amino]-2-oxobutanamide
SMILESCCC(CNCC(N)C(=O)C(N)=O)CC(C)CF
InChIInChI=1S/C12H24FN3O2/c1-3-9(4-8(2)5-13)6-16-7-10(14)11(17)12(15)18/h8-10,16H,3-7,14H2,1-2H3,(H2,15,18)
InChIKeyWMFWHWLPDDNYSZ-UHFFFAOYSA-N
XLogP-0.02
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(2-ethyl-5-fluoro-4-methylpentyl)amino]-2-oxobutanamide?
The IUPAC name of 3-amino-4-[(2-ethyl-5-fluoro-4-methylpentyl)amino]-2-oxobutanamide (CID 91304212) is 3-amino-4-[(2-ethyl-5-fluoro-4-methylpentyl)amino]-2-oxobutanamide.
What is the SMILES notation for 3-amino-4-[(2-ethyl-5-fluoro-4-methylpentyl)amino]-2-oxobutanamide?
The canonical SMILES for 3-amino-4-[(2-ethyl-5-fluoro-4-methylpentyl)amino]-2-oxobutanamide is CCC(CNCC(N)C(=O)C(N)=O)CC(C)CF.
What is the InChIKey of 3-amino-4-[(2-ethyl-5-fluoro-4-methylpentyl)amino]-2-oxobutanamide?
The InChIKey is WMFWHWLPDDNYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FN3O2/c1-3-9(4-8(2)5-13)6-16-7-10(14)11(17)12(15)18/h8-10,16H,3-7,14H2,1-2H3,(H2,15,18).
What are the key properties of 3-amino-4-[(2-ethyl-5-fluoro-4-methylpentyl)amino]-2-oxobutanamide?
3-amino-4-[(2-ethyl-5-fluoro-4-methylpentyl)amino]-2-oxobutanamide has a molecular weight of 261.34 g/mol, XLogP of -0.02, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(2-ethyl-5-fluoro-4-methylpentyl)amino]-2-oxobutanamide is sourced from PubChem (CID 91304212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).